6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline

C51H37F6N9O2 — CID 160789101

IUPAC6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(OC(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1.Cc1cccc(-c2[nH]c(Cc3cccc(OC(F)(F)F)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H19F3N4O.C25H18F3N5O/c1-16-5-2-9-22(31-16)25-24(19-10-11-21-18(15-19)7-4-12-30-21)32-23(33-25)14-17-6-3-8-20(13-17)34-26(27,28)29;1-15-4-2-7-20(31-15)24-23(17-8-9-19-21(14-17)30-11-10-29-19)32-22(33-24)13-16-5-3-6-18(12-16)34-25(26,27)28/h2-13,15H,14H2,1H3,(H,32,33);2-12,14H,13H2,1H3,(H,32,33)
InChIKeySBPKEXOERSOWQH-UHFFFAOYSA-N
MW921.91 g/mol
LogP12.36
Rot. Bonds10

About 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline

6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline (PubChem CID 160789101) has the molecular formula C51H37F6N9O2 and a molecular weight of 921.91 g/mol. Its IUPAC name is 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline.

Molecular Properties

Compound Name6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
PubChem CID160789101
Molecular FormulaC51H37F6N9O2
Molecular Weight921.91 g/mol
Exact Mass921.30
IUPAC Name6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(OC(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1.Cc1cccc(-c2[nH]c(Cc3cccc(OC(F)(F)F)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H19F3N4O.C25H18F3N5O/c1-16-5-2-9-22(31-16)25-24(19-10-11-21-18(15-19)7-4-12-30-21)32-23(33-25)14-17-6-3-8-20(13-17)34-26(27,28)29;1-15-4-2-7-20(31-15)24-23(17-8-9-19-21(14-17)30-11-10-29-19)32-22(33-24)13-16-5-3-6-18(12-16)34-25(26,27)28/h2-13,15H,14H2,1H3,(H,32,33);2-12,14H,13H2,1H3,(H,32,33)
InChIKeySBPKEXOERSOWQH-UHFFFAOYSA-N
XLogP12.36
TPSA140.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.91
LogP ≤ 512.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline with MolForge

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Related Compounds

Lut-014
CID 138319775
4-(6-methoxypyridin-3-yl)-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11534687
4-(3-(trifluoromethoxy)phenyl)-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]-imidazole
CID 11534895
N'-(5-ethyl-9-methoxy-11-methyl-6H-indolo[2,3-b][1,6]naphthyridin-5-ium-1-yl)-N-[3-[(5-ethyl-9-methoxy-11-methyl-6H-indolo[2,3-b][1,6]naphthyridin-5-ium-1-yl)amino]propyl]propane-1,3-diamine
CID 44438255
5-(3-methoxyphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine;hydrochloride
CID 44532879
[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(pyrazin-2-ylmethyl)piperazin-1-yl]-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]methanone
CID 156017303
[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]methanone
CID 156018212
4-[5-[4-[4-[5-(3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413994
2-[6-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 137645058
US10202370, Example 037
CID 90466511
7-(3H-benzimidazol-5-yl)-8-methoxy-1-(4-methoxyphenyl)-2-methylimidazo[4,5-c]quinoline
CID 177654271
7-(1H-indol-5-yl)-8-methoxy-1-(4-methoxyphenyl)-2-methylimidazo[4,5-c]quinoline
CID 177654880

Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
The IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline (CID 160789101) is 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline.
What is the SMILES notation for 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
The canonical SMILES for 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline is Cc1cccc(-c2[nH]c(Cc3cccc(OC(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1.Cc1cccc(-c2[nH]c(Cc3cccc(OC(F)(F)F)c3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
The InChIKey is SBPKEXOERSOWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O.C25H18F3N5O/c1-16-5-2-9-22(31-16)25-24(19-10-11-21-18(15-19)7-4-12-30-21)32-23(33-25)14-17-6-3-8-20(13-17)34-26(27,28)29;1-15-4-2-7-20(31-15)24-23(17-8-9-19-21(14-17)30-11-10-29-19)32-22(33-24)13-16-5-3-6-18(12-16)34-25(26,27)28/h2-13,15H,14H2,1H3,(H,32,33);2-12,14H,13H2,1H3,(H,32,33).
What are the key properties of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline has a molecular weight of 921.91 g/mol, XLogP of 12.36, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline is sourced from PubChem (CID 160789101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).